1-[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C29H35N4O3+ MolecularWeight: 487.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)C

InChI

InChI=1S/C29H34N4O3/c1-20-10-11-22(18-21(20)2)33-19-25(23-8-4-5-9-24(23)27(33)35)26(34)31-16-12-29(13-17-31,28(30)36)32-14-6-3-7-15-32/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H2,30,36)/p+1